Critical Cavities and Homogeneous Bubble Nucleation in Superheated Liquids

过热液体中的临界空腔和均质气泡成核

• 批准号: 0718145
• 负责人: David Corti
• 金额: $ 35.32万
• 依托单位: Purdue University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2007
• 资助国家: 美国
• 起止时间: 2007-08-01 至 2012-02-29
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0718145&HistoricalAwards=false
• 关键词: Critical; Cavities; Homogeneous; Bubble; Nucleation

David S. Corti of Purdue University is supported by the Theoretical and Computational Chemistry Program to develop a molecular theory of homogeneous bubble nucleation in superheated liquids. A variety of theoretical and molecular simulation methods are in use to study cavity and bubble formation in several model liquids. The goal is to provide an improved molecular-based understanding of first-order phase transitions in liquids. Investigations are underway to understand the statistical mechanical origin of the locus of instability predicted in superheated liquids, and the connection between cavity creation and bubble formation. This information is leading to accurate quantitative predictions of bubble nucleation rates in liquids, and will serve as a guide to modifications of phenomenological approaches currently in use. This work is having a broader impact in increasing our understanding of the liquid phase and phase transitions, which has relevance in material processing and manufacturing. Students involved in this research receive a solid foundation in statistical mechanics, thermodynamics and molecular simulation. Results of the research provide material for classroom discussions of the molecular-based description of bubble nucleation. These discussions bring cutting-edge research problems within the grasp of undergraduates from diverse areas of study.

大卫S.普渡大学的Corti在理论和计算化学项目的支持下，开发了过热液体中均匀气泡成核的分子理论。 各种理论和分子模拟方法被用来研究几种模型液体中空穴和气泡的形成。 其目标是提供一个改进的基于分子的理解在液体中的一阶相变。 调查正在进行中，以了解统计力学的过热液体中预测的不稳定性的轨迹的起源，和空腔创建和气泡形成之间的连接。这一信息导致准确的定量预测的气泡成核率在液体中，并将作为一个指导修改目前使用的唯象方法。 这项工作在提高我们对液相和相变的理解方面产生了更广泛的影响，这与材料加工和制造有关。 参与这项研究的学生在统计力学，热力学和分子模拟方面有坚实的基础。 研究结果为课堂讨论气泡成核的分子描述提供了材料。 这些讨论带来了来自不同研究领域的本科生掌握的前沿研究问题。